4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide

C14H12Cl2N2O2 — CID 110004659

IUPAC4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
SMILESO=C(NC(CO)c1ccc(Cl)cc1)c1cc(Cl)ccn1
InChIInChI=1S/C14H12Cl2N2O2/c15-10-3-1-9(2-4-10)13(8-19)18-14(20)12-7-11(16)5-6-17-12/h1-7,13,19H,8H2,(H,18,20)
InChIKeyALIWEXJJIRSHLI-UHFFFAOYSA-N
MW311.17 g/mol
LogP2.85
Rot. Bonds4

About 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide

4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide (PubChem CID 110004659) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
PubChem CID110004659
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
SMILESO=C(NC(CO)c1ccc(Cl)cc1)c1cc(Cl)ccn1
InChIInChI=1S/C14H12Cl2N2O2/c15-10-3-1-9(2-4-10)13(8-19)18-14(20)12-7-11(16)5-6-17-12/h1-7,13,19H,8H2,(H,18,20)
InChIKeyALIWEXJJIRSHLI-UHFFFAOYSA-N
XLogP2.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide
CID 46820321
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 110004592
4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437
4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 31607589
4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 47316513
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 110001224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide (CID 110004659) is 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide is O=C(NC(CO)c1ccc(Cl)cc1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide?
The InChIKey is ALIWEXJJIRSHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-10-3-1-9(2-4-10)13(8-19)18-14(20)12-7-11(16)5-6-17-12/h1-7,13,19H,8H2,(H,18,20).
What are the key properties of 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide?
4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 110004659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).